ma 02139 keivan esfarjani - delaware physicsglyde/students/cvkei1.pdf · cv of keivan esfarjani...
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CV of Keivan Esfarjani Page 1
KEIVAN ESFARJANI
77 MASSACHUSETTS AVE., CAMBRIDGE MA 02139
[email protected] (617) 715-4045
http://web.mit.edu/kei1/www/index.html
RESEARCH INTERESTS
Modeling and simulation of heat, charge and spin transport in nanostructured materials, design of novel materials for energy conversion and storage, unification of radiation and conduction, stability of nanoclusters, properties of carbon-based materials.
EDUCATION
Ph. D. in theoretical Condensed-Matter Physics 87 – 91 University of Delaware, Newark, DE, GPA 4.0/4.0 Dissertation: Study of quantum melting in 2D, application to Coulomb systems.
“DEA” (Equivalent to M. Sc.) in Solid-State Physics 86 87 University of Paris 7 and Orsay, France
General-Engineering degree 83 86 Ecole Centrale de Paris, Chatenay Malabry, France
“Maitrise” (Equivalent to B. Sc.) in Physics, 84 86 University of Paris 7, France.
Preparation to enter French “Grandes Ecoles” 81 83 Lycee Pierre de Fermat, Toulouse, France.
Research-related Keywords Methods: High-performance computations Electronic Structure First-principles DFT Molecular Dynamics Green's Functions Lattice Dynamics Monte Carlo
Phenomena: Heat, charge and spin transport Phase transitions Thermoelectricity Field emission Magnetism
Systems/Materials: Carbon nanotubes, nanoribbons, fullerenes Nanostructures 2D electrons Si,Ge, GaAs, AlAs, PbTe, PbSe, BiTe
PROFESSIONAL EXPERIENCE
Massachusetts Institute of Technology, 77 Mass. Ave, Cambridge, MA 02139 09 –Present
Research Scientist, Department of Mechanical Engineering
Research: Developed codes to calculate bulk thermal conductivity from first-principles density-functional theory (DFT), applied to construct a database of mean-free paths and thermal conductivity of Si, GaAs, AlAs, PbTe, PbSe, BiTe, (Ti/Zr)(Co/Fe)Sb. Generated tools and models based on Green’s function theory, for calculation of thermal conductance of nanostructures. Developed a theoretical formalism which unifies conduction and radiation, leading to a new formula for interfacial resistance. Responsibilities: Supervision of students and postdocs, and participation in writing of research proposals.
University of California, 1156 High St., Santa Cruz, CA 95064 05 09
Visiting Associate Professor, Departments of Physics and Electrical Engineering
Research: Developed models for heat and charge transport in graphene nanoribbons and nanotubes based on Green’s function theory. Studied transport in nanoparticle–doped thermoelectric materials leading to improved power factor. Used DFT methods to predict the metal-insulator transition in the 2D electron gas. Teaching: electromagnetism, thermodynamics, solid-state and graduate-level condensed-matter physics.
CV of Keivan Esfarjani Page 2
Sharif University of Technology, Azadi Ave., Tehran, Iran 01 – 06
Associate Professor with tenure, Department of Physics Research: developed analytical methods to calculate coherent conductance in quantum wires and superlattices, simulated carbon nanotube growth, calculated thermodynamic properties of the 2D electron gas in MOSFET devices, studied stability and charging properties of diamondoids, and studied spin dynamics and permalloy nano-dots to explain the vortex to ferromagnet transition mechanism. Teaching: electrodynamics, condensed matter physics, solid state physics, computational physics, numerical methods, many-body physics, applied quantum mechanics, and quantum transport. Administrative responsibilities: updated/developed syllabus for new courses. Member of Graduate Studies and Research committees, and cofounder of the Institute for NanoScience and NanoTechnology Mentoring: Supervised 14 M.Sc. and 5 PhD students Institute for Materials Research, Tohoku U. , 2-1-1 Katahira, Aoba Ku, Sendai 98077, Japan 93 – 01 Assistant Professor (93-99) and Associate Professor(00-01) Research: Contributed in the development of the in-house mixed-basis DFT code. Studied effect of n- and p-doping on fullerenes. Investigated stability of carbon, silicon, and transition-metal clusters. Proposed use of doped semiconducting carbon nanotubes as nanodiodes. Discovered negative differential resistance in doped metallic nanotubes. Investigated doping mechanisms in CNTs, and their mechanical properties, as well as defect generation mechanism in them under applied stress. Responsibilities: Supervision and training of students and postdocs, and writing of research proposals. Mentoring: Supervised 4 M.Sc. and 3 PhD students Washington University, St Louis, MO 91 –92
Postdoctoral Research Associate, Department of Physics
Research: Investigated attenuation of surface acoustic waves in metals and superconductors.
AWARDS and HONORS
Second Prize for Leading Nanoscientists in Iran, awarded by the Office of the (ex-) President 03 – 05
Associate Member of The International Center for Theoretical Physics, Trieste, Italy 02 – 08
Awarded the chair of IBM-Hitachi at IMR, Tohoku University 96 – 99
Awarded the University of Delaware Competitive Fellowship 89 – 91
Papers selected in the Focus page of the American Physical Society and in the Virtual Journal of Nanoscale Science and Technology
Grant Proposal reviewer for NSF, Petroleum Research Fund, European Universities CRAs
Referee for Energy&Envir. Sci., PNAS, Phys. Rev. Lett., Phys. Rev. B, Appl. Phys. Lett., J. Appl. Phys., EuroPhys. Lett., Eur. Phys. J. B, Energy&Fuels, Nano Lett., JACS, JPCM, Comp. Mat. Sci., J. Mat. Res., and Physica
Co-founder of the Iranian Nanotechnology Society
Associate Editor of the International Journal of Nanoscience and Nanotechnology
Cofounder and member of Advisory Council of the Asian Consortium for Computational Materials Science
RESEARCH GRANTS Agency Title Period
ARPA-E Metallic Composites Phase-Change Materials 12-15
for High-Temperature Thermal Energy Storage
CV of Keivan Esfarjani Page 3
U. of California Energy Institute First-principles calculation of thermal conductivity 06-07 Iranian Ministry of Oil & Gas Thermodynamics of nanodiamondoids 05-06 Iranian Ministry of Sci & Tech Thermal transport in nanostructures 05-06 Iranian Ministry of Sci & Tech Simulations of nanoclusters 04-05 Iranian Ministry of Sci & Tech Growth process of carbon nanotubes 01-02 Japanese Ministry of Sci & Tech Electronic structure of nanotubes 98-99 Japanese Ministry of Sci & Tech Electronic structure of fullerenes 97-98
My students and I were also internally supported for my research by the Research Division of the Sharif University of Technology.
TEACHING AND MENTORING EXPERIENCE
20+ years: Have taught courses on Quantum Mechanics, Applied Quantum Mechanics, Condensed Matter Physics, Electronic structure methods, Transport, Many-body Theory, Electrodynamics, and Computational Physics at the graduate level; and Mechanics, Electromagnetism, Thermodynamics and Solid State Physics at the undergraduate level.
Have supervised 8 PhD and 18 MSc students.
INVITED TALKS University of Delaware: “First-principles calculation of carbon nanostructures from mixed-basis approach” 1995 Washington University: “Energetics of doped carbon clusters: Stability of C60B10” 1996 University of Delaware: “Carbon Nanotube Diodes” 2000 Plenary talk, Iranian Physical Society: “Electronic and mechanical properties of carbon nanotubes” 2001 Plenary talk, 1st ACCMS conference in Bangalore: “Electronic properties of magnetically-doped nanotubes” 2001 International workshop on WIEN2K, Isfahan U of Tech.: “Order-N methods in electronic structure theory” 2001 Condensed Matter Conference, Inst. Adv. St. Bas. Sci (IASBS): “Phase segregation in fermion droplets” 2001 Condensed Matter Conference, Inst. Adv. St. Bas. Sci (IASBS): “Thermodynamic properties of carbon onions” 2002 Institute for Materials Research, Tohoku University: “Coherent transport in atomic chains” 2003 Condensed Matter Conference, Inst. Adv. St. Bas. Sci (IASBS): “Molecular dynamics of nanotube growth” 2003 Bilkent University: “Electrical and transport properties of doped nanotube junctions” 2003 ACCMS2 Conference, Novosibirsk Russia: "Mechanism of carbon nanotube growth" 2004 International workshop on PWSCF, Isfahan U of Tech.: “Thermoelectric properties of nanotubes” 2005 University of Delaware: "Thermoelectric properties of a nanocontact" 2005 Institute for Materials Research, Tohoku University: "Thermoelectric properties of a nanocontact" 2006 University of California Santa Cruz: “Thermoelectric properties of a nanocontact” 2006 Int. Cen. Theor. Phys.: "Negative differential resistance in nanocontacts and atomic chains" 2007 Int. Cen. Theor. Phys.: "Metal-insulator transition and maximum in magnetic susceptibility in 2D electron gas” 2007 General Electric Co.: “Modeling of thermoelectric materials” 2008 University of California Santa Cruz: “Negative differential resistance in molecular junctions” 2009 CECAM Lausanne: “Thermal transport in graphene nanojunctions” 2009 ACCMS-VO5, Matsushima, Japan: "Thermal Conductivity of Bulk Crystals from First-principles" 2010
SKILLS
Computer Programming: Object-oriented Fortran-90, Unix shell scripting and Mathematica Languages: Fluent in English, French and Persian (native), Familiar with Spanish and Japanese
CV of Keivan Esfarjani Page 4
PUBLICATIONS
Book (monograph):
K. Ohno, K. Esfarjani and Y. Kawazoe, "Computational Materials Science; from Ab initio to Monte Carlo Methods," Solid State Series, vol. 129, Springer-Verlag, Berlin, Germany (1999).
Review Articles:
RA 1. K. Ohno, Y. Maruyama, H. Kamiyama, E. Bei, K. Shiga, Z.-Q. Li, K. Esfarjani, and Y. Kawazoe, “An all-electron first-principles molecular dynamics method and a possibility of its application to atomistically disordered systems,” Advanced Materials Research 1 , p. 210-219 (1998).
RA 2. K. Esfarjani, Amir A. Farajian, Yuichi Hashi, and Yoshiyuki Kawazoe, “Electronic, transport and
mechanical properties of carbon nanotubes,” Clusters and Nanomaterials, Springer-Verlag, Berlin, Germany p.187-220 (2001).
RA 3. V. Kumar, K. Esfarjani, and Y. Kawazoe, “Computer simulations on clusters: Structures and
electronic properties,” Clusters and Nanomaterials, Springer-Verlag, Berlin, Germany, p.9-88 (2001).
RA 4. J. Onoe, T. Nakayama, A. Nakao, Y. Hashi, K. Esfarjani , K. Ohno, Y. Kawazoe, M. Aono, and K.
Takeuchi, “The nanostructure of C60 photopolymers,” Clusters and Nanomaterials, Springer-Verlag, Berlin, Germany p.135-169 (2001).
RA 5. K. Esfarjani and G. A. Mansoori, "Statistical Mechanical Modeling and its Application to
Nanosystems," Handbook of Theoretical and computational Nanotechnology , Vol X, Chap. 16, p. 1-45 (2005).
RA 6. M. Zebarjadi, K. Esfarjani, M. S. Dresselhaus, Z. Ren and G. Chen, “Perspectives on thermoelectrics”, invited paper, Energy and Envir. Sci., DOI: 10.1039/c1ee02497c (2011).
Conference Proceedings:
CP 1. K. Esfarjani, H. R. Glyde and V. Sayakanit, "Path integrals, Disorder and Quantum Hall Oscillations," Proceedings of the 3rd International Conference on Path Integrals from mev to Mev, 176 (1989).
CP 2. K. Esfarjani, B. L. Gu, Y. Maruyama, K. Ohno, and Y. Kawazoe, "Electronic Properties of C58 NB
Fullerene Solids," Materials Research Society Symposium Proceedings, 225 (Spring 1994). CP 3. K. Esfarjani, K. Ohno, and Y. Kawazoe, "Search for the ground state of C60 B10," Materials Research
Society Symposium Proceedings, 229 (Fall 1994). CP 4. M. Sluiter, K. Esfarjani, and Y. Kawazoe, "Phase Stability of the Sigma Phase in Fe-Cr Based Alloys,"
Materials Research Society Symposium Proceedings, 408, 369 (1996).
CV of Keivan Esfarjani Page 5
CP 5. Y. Hashi, K. Esfarjani, S. Itoh, S. Ihara, and Y. Kawazoe, "Electronic structure of C240 rings," MRS-J Symposium I Proceedings, Trans. Mat. Res. Soc. Japan, 20, 486 (1996).
CP 6. H. Mizuseki, K. Esfarjani, Z.Q. Li, K. Ohno, Y. Akiyama, Y. Ichinoseki, and Y. Kawazoe, "Efficiency of
Parallel Machine for Large-Scale Simulation in Computational Physics," High Performance Computing (Lecture Notes Comput. Sci. , 1336), 381, (1997).
CP 7. K. Esfarjani (Invited talk at the IPMM'97), "Application of computational physics to the design of
new nanoscale devices: nanodiodes and nano-transistors," IPMM’97 Conference Proceedings , Vol. 1, p. 171-176 (1997).
CP 8. K. Esfarjani, Y. Hashi and Y. Kawazoe, "Simulated Annealing of Small Silicon Clusters by Tight-
Binding," Nuclus97 Conference Proceedings, Similarities and differences between atomic nuclei and clusters , p. 403-406 (AIP no. 416, 1997).
CP 9. Taneda, K. Esfarjani , Y. Hashi and Y. Kawazoe, "Tight-binding method for Cu clusters, ground state
studies of Cu3 - Cu12," Nuclus97 Conference Proceedings, Similarities and differences between atomic nuclei and clusters , p. 471-474 (AIP no. 416, 1997).
CP 10. A. Farajian, K. Esfarjani, Y. Hashi and Y. Kawazoe, "Transport properties of doped carbon
nanotubes," Proceedings of the special symposium on advanced materials, Nagoya, Japan, in Advanced Materials 4, p.15-18 (1998).
CP 11. K. Esfarjani, A.A. Farajian, Y. Hashi and Y. Kawazoe, "Nanotube diodes," Proceedings of the 2nd
Cluster Symposium , p. 145-148, April 1998, Osaka, Japan. CP 12. J. Onoe, T. Nakayama, A. Nakao, Y. Hashi, K. Esfarjani, Y. Kawazoe, M. Aono, and K. Takeuchi, "In
situ FTIR, XPS, and STM studies of the nano-structure of a photopolymerized C60 film," ISIC-10 Proceedings, Mol. Cryst. Liq. Cryst. 340 , 689 (1999).
CP 13. K. Esfarjani, Y. Hashi, K.Shida and Y. Kawazoe, "Ground state structure of silicon clusters by SA and
GA methods," Proceedings of CIMTEC'98, Computational Modeling and Simulation of Materials, Techna , (1999).
CP 14. K. Esfarjani, A. A. Farajian, Y. Hashi and Y. Kawazoe, "Electronic properties of doped nanotubes,"
Proceedings of CIMTEC'98, Computational Modeling and Simulation of Materials, Techna , (1999). CP 15. K. Esfarjani, and Y. Kawazoe, "The renormalized-interaction method: a new order-N algorithm,"
Proceedings of the 3rd Cluster Symposium, Tokyo Met. Univ. , p. 169-171, (May 12-14, 1999). CP 16. A.A. Farajian, K. Esfarjani, and Y. Kawazoe, “Optimized geometries and charge transfer in Ga and As
dimers on Si surface: an ab initio study," Proceedings of the 3rd Cluster Symposium, Tokyo Met. Univ., p. 115-117, (May 12-14, 1999).
CP 17. K. Esfarjani, A. A. Farajian, S. T. Chui, and Y. Kawazoe, "AC response of doped nanotube junctions,"
Proceedings of the third Sanken International Symposium, Osaka, Japan , p. 164 (March 2000).
CV of Keivan Esfarjani Page 6
CP 18. S. Vannarat, K. Esfarjani, and Y. Kawazoe, "Elastic interaction between self-assembled quantum dots," Proceedings of the third Sanken International Symposium, Osaka, Japan , p. 138 (March 2000).
CP 19. A.Tajik, K. Esfarjani, and F. Ebrahimi, "Electronic Structure of Single and Double Layer Graphene
Tubules by the Folding Method," Proceedings of the Condensed Matter workshop, IASBS, Zanjan, Iran (April 2000).
CP 20. K. Esfarjani, Y. Hashi, and Y. Kawazoe, "Electronic properties of carbon onions," Proceedings of the
Condensed Matter workshop, IASBS, Zanjan, Iran (April 2000). CP 21. S. Vannarat, S. T. Chui, K. Esfarjani, and Y. Kawazoe, "Effect of inter-island interaction on the
growth of self-assembled quantum dots," Proceedings of the 25th International Conference on the Physics of Semiconductors, Osaka, Japan (Sept. 2000).
CP 22. K. Esfarjani, S. T. Chui, V. Kumar, and Y. Kawazoe, "Phase separation in fermion droplets,"
Transactions of the Materials Research Society of Japan (MRS-J), 26, 1101-1104 (2001). CP 23. K. Esfarjani, Amir A. Farajian, Farshad Ebrahimi and Yoshiyuki Kawazoe, "Rotational Symmetry
Selection Rule and Doping in Nanotube Transistors," Transactions of the Materials Research Society of Japan (MRS-J), (2001).
CP 24. Takafumi Ishii, K. Esfarjani, Yuichi Hashi, Yoshiyuki Kawazoe and Sumio Iijima, "Analysis of C60
Insertion into Single Wall Carbon Nanotube by Molecular Dynamics Simulation," Proceedings of the Materials Research Society of Japan (MRS-J) , (2001).
CP 25. A. Farajian, K. Esfarjani and Y. Kawazoe, "Charge oscillation at doped nanotube junctions,"
Proceedings of the ISNM2001 International Conference, (2001). CP 26. K. Esfarjani, Z. Chen, A. A. Farajian and Y. Kawazoe, "Spin valve effect in magnetically doped
nanotube-based transistors," Proceedings of the ISNM2001 International Conference , (2001). CP 27. Takafumi Ishii, K. Esfarjani, Yuichi Hashi, Yoshiyuki Kawazoe and Sumio Iijima, "Analysis of C60
Insertion into Single Wall Carbon Nanotube by Molecular Dynamics Simulation," Proceedings of the ISNM2001 International Conference , (2001).
CP 28. A. A. Farajian, K.Esfarjani , H. Mizuseki and Y. Kawazoe, "Transport through Dimerized Ga and As
Atomic Wires Deposited on Si(100) Substrate," Proc. Intl. Symp. On Cluster Assembled Mater., IPAP Conf. Series 3 , 172-174 (2001).
CP 29. M. Sayyari, M. Heydari Saani, K. Esfarjani, M. A. Vesaghi, "Calculation of diamond vacancy
Hamiltonian parameters," Proceedings of the Condensed Matter workshop, IASBS, Zanjan, Iran (April 2002).
CP 30. M. Mardaani and K. Esfarjani, "Calculation of the transmission coefficient for linear and cyclic
molecules," Proceedings of Sixth Condensed Matter conference of the Iranian Physical Society (2002).
CV of Keivan Esfarjani Page 7
CP 31. H. Cheraghchi and K. Esfarjani, "Effect of disorder on the density of states using CPA," Proceedings of Sixth Condensed Matter conference of the Iranian Physical Society (2002).
CP 32. Z. Nasrollahi, N. Gorjizadeh and K. Esfarjani, "Simulation of carbon nanotube growth," Proceedings
of Sixth Condensed Matter conference of the Iranian Physical Society (2002). CP 33. M. R. Mozaffari and K. Esfarjani, "Spin dynamics and magnons in a quantum dot," Proceedings of
Sixth Condensed Matter conference of the Iranian Physical Society (2002). CP 34. A. Shokri and K. Esfarjani, "Screening, charge and magnetization profiles in junctions," Proceedings
of Sixth Condensed Matter conference of the Iranian Physical Society (2002). CP 35. H. Cheraghchi and K. Esfarjani, "Effect of disorder and external potential on transmission and I-V
characteristics of a quantum dot," Proceedings of the Condensed Matter workshop, IASBS, Zanjan, Iran (April 2003).
CP 36. A.A. Shokri and K. Esfarjani, "First-principle calculation of electronic properties at junctions,"
Proceedings of the Condensed Matter workshop, IASBS, Zanjan, Iran (April 2003). CP 37. K. Esfarjani and M. R. Mozaffari, "Spin excitations in a magnetic quantum dot," Proceedings of the
Condensed Matter workshop, IASBS, Zanjan, Iran (April 2003). CP 38. H. Hagghi and K. Esfarjani, "Magnetic properties and evolution of vortex state in a quantum dot,"
Proceedings of the Iranian Physical Society Meeting (2003). CP 39. A.A. Shokri and K. Esfarjani, "A simple model to describe spin and charge couplings of an impurity
in the electron gas," Proceedings of the Iranian Physical Society Meeting (2003). CP 40. M. Mardaani and K. Esfarjani, "Effect of co-polymerization on the spectrum and transmission
properties in a quantum wire: a tight binding study," Proceedings of the Iranian Physical Society Meeting (2003).
CP 41. A. A. Shokri and K. Esfarjani, “Calculation of charge and spin response in a polarized electron gas,"
Proceedings of the Condensed Matter workshop, IASBS, Zanjan, Iran (April 2004). CP 42. A. A. Shokri and K. Esfarjani, “Effect of spin polarization on transport in a quantum wire,”
Proceedings of the Condensed Matter workshop, IASBS, Zanjan, Iran (April 2004). CP 43. M. Zebarjadi and K. Esfarjani, "Thermionic cooling in semiconductor junctions by Monte Carlo
method," Proceedings of the Condensed Matter workshop, IASBS, Zanjan, Iran (April 2004). CP 44. M. Zebarjadi, K. Esfarjani and A. Shakouri, "Enhanced Cooling Power Due to Nonlinear Peltier
Effect," Thermoelectric Power Generation , edited by T.P. Hogan, J. Yang, R. Funahashi, and T. Tritt (Mater. Res. Soc. Symp. Proc. 1044 , 427-434, 2008)
CP 45. M. Zebarjadi, K. Esfarjani and G. Chen, “Thermal conductivity of cage-like structures,” Proceedings of the ASME/JSME conference, AJTEC 2011-44276.
CV of Keivan Esfarjani Page 8
CP 46. K. Esfarjani, G. Chen and A. Henry, “First principles-based interatomic potential for Si and its thermal conductivity,” Proceedings of the ASME/JSME conference, AJTEC 2011-44339.
Journal Articles:
JA 1. K. Esfarjani, H. R. Glyde and V. Sayakanit, "Disorder, Screening and Quantum Hall Oscillations," Phys. Rev. B. 41, 1042 (1990).
JA 2. K. Esfarjani and S. T. Chui, "Solidification of the two-dimensional electron gas in high magnetic
fields," Phys. Rev. B. 42, 10758 (1990). JA 3. S. T. Chui and K. Esfarjani, "Finite temperature transport of a pinned two-dimensional electron
system," Phys. Rev. Lett. 66, 652 (1991). JA 4. S. T. Chui and K. Esfarjani, "A mechanism for quantum melting in two dimensions," Europhys. Lett.
14, 361 (1991). JA 5. K. Esfarjani and S. T. Chui, “Self-consistent phonon and magnetophonon and cubic anharmonic
corrections of the 2D electron lattice,” J. Phys. Condens. Matter 3, 5825 (1991). JA 6. S. T. Chui and K. Esfarjani, "Finite-temperature two-dimensional Wigner transition," Phys. Rev. B
44, 11498 (1991). JA 7. K. Esfarjani and S. T. Chui, "Shear modulus of the magnetophonon wavefunction," Solid State
Com. 79, 387 (1991). JA 8. K. Esfarjani, S. T. Chui and Qiu Xiu, "Dislocation waves in a 2-dimensional Coulomb lattice," Phys.
Rev. B 46, 4638 (1992). JA 9. K. Esfarjani, K. Ohno, and Y. Kawazoe, "Band Structure and Chemical Bonding in C58 NB
Fullerenes," Phys. Rev. B. 50, 17830 (1994). JA 10. K. Esfarjani and Y. Kawazoe, "A bilayer of Wigner crystal in the harmonic approximation," Jour.
Phys. Condens. Mat. 7, 7217 (1995). JA 11. M. Sluiter, K. Esfarjani, and Y. Kawazoe, "Site occupation reversal in Fe-Cr sigma phase," Phys. Rev.
Lett. 75, 3142 (1995). JA 12. K. Esfarjani , K. Ohno, Y. Kawazoe, and B. L. Gu, "Effect of orientation on the band structure of
C58 NB hetero-fullerenes in fcc solid phase," Solid State Com. 97, 539 (1996). JA 13. K. Esfarjani, K. Ohno, and Y. Kawazoe, "Electronic structure of C58BN clusters," Surface Rev. Lett.
3, 747 (1996). JA 14. K. Ohno, Y. Maruyama, K. Esfarjani, Y. Kawazoe and M. Niwano, "Ab-initio molecular dynamics
simulations for collision between C60- and alkali-metal ions: A possibility of Li@C60," Phys. Rev. Lett. 76, 3590 (1996).
CV of Keivan Esfarjani Page 9
JA 15. Y. Hashi, K. Esfarjani, K. Ohno and Y. Kawazoe, "Tight-binding molecular dynamics simulation of fullerene collision processes," Sci. Rep. RITU, A41(2), p.171-173, (1996).
JA 16. Y. Maruyama, K. Ohno, K. Esfarjani, and Y. Kawazoe, "Ab-initio molecular dynamics simulation of Li
insertion in C60," Sci. Rep. RITU, A41(2), p.183-186, (1996). JA 17. K. Esfarjani, Y. Hashi, S. Itoh, S. Ihara, and Y. Kawazoe, "Stability and vibrational spectra of C240
isomers," Z. fur Phys. D, 41, 73, (1997). JA 18. R. T. Fu, K. Esfarjani, Y. Hashi, J. Wu and Y. Kawazoe, "Surface Reconstruction of Si (001) by Genetic
Algorithms and Simulated Annealing Methods," Sci. Rep. RITU A-44(1), p. 77-81, January (1997). JA 19. K. Esfarjani, Y. Hashi, J. Onoe, K. Takeuchi, and Y. Kawazoe, "Vibrational modes and IR analysis of
neutral photopolymerized C60 dimers," Phys. Rev. B, 57, 223 (1998). JA 20. A. Taneda, K. Esfarjani, Z. Q. Li and Y. Kawazoe, "Tight-binding parametrization of transition metal
elements from LCAO ab-initio Hamiltonians" Computational Materials Science, 9, 343 (1998). JA 21. K. Esfarjani and Y. Kawazoe, "Self-consistent tight-binding formalism for charged systems," Jour.
Phys. Condens. Mat. , 10, 8257 (1998). JA 22. K. Esfarjani, K. Shida, K. Ohno and Y. Kawazoe, "Genetic Algorithms," Materia Japan, 37, no. 10, p.
893, (1998). (in Japanese) JA 23. K. Esfarjani, A. A. Farajian, Y. Hashi, and Y. Kawazoe, "Electronic and transport properties of N-P
doped nanotubes," Appl. Phys. Lett . 74, 79 (1999). JA 24. A. A. Farajian, K. Esfarjani and Y. Kawazoe, "The three-fermion problem in two and three
dimensions, a unified variational approach," J. Phys. B 32, 749 (1999). JA 25. J. Onoe, Y. Hashi, K. Esfarjani, Y. Kawazoe, and K. Takeuchi, "FT-IR and FT-MS studies of a
photoirradiated KxC60 film," Eur. Phys. J. D, 9, 363 (1999). JA 26. K. Esfarjani, Amir A. Farajian and Y. Kawazoe, "Localized-basis-set optimization," Comp. Mat. Sci.
15, 351 (1999). JA 27. A. A. Farajian, K. Ohno, K. Esfarjani, Y. Maruyama, and Y. Kawazoe, "Ab initio study of dopant
insertion into carbon nanotubes," J. Chem. Phys . 111, 2164 (1999). JA 28. A. A. Farajian, K. Esfarjani, and Y. Kawazoe, "Nonlinear coherent transport through doped
nanotube junctions," Phys. Rev. Lett. 82, 5084 (1999). JA 29. J. Onoe, Y. Hashi, K. Esfarjani, T. Hara, Y. Kawazoe, and K. Takeuchi, "In-situ Infrared Spectroscopy
of a Photoirradiated Potassium-doped C60 film," Chem. Phys. Lett. 315, 19 (1999). JA 30. J. Onoe, T. Nakayama, A. Nakao, Y. Hashi Y, K. Esfarjani, Y. Kawazoe, M. Aono and K. Takeuchi, "In
situ FTIR, XPS and STM studies of the nano-structure of a photopolymerized C60 film," Molec. Crys. Liq. Crys. 340, 689 (2000).
CV of Keivan Esfarjani Page 10
JA 31. S. T. Chui, J. T. Wang, L. Zhou, K. Esfarjani, and Y. Kawazoe, "Realization of an effective ultrahigh
magnetic field on a nanoscale," J. Phys. Condens. Matt. 13, L49 (2001). JA 32. K. Esfarjani, A. A. Farajian, F. Ebrahimi, and Y. Kawazoe, "Transport properties of a nanotube-
based transistor," Euro. Phys. Jour. D 16 (1-3) 353-355 (Sept. 2001). JA 33. S. Vannarat, K. Esfarjani, S. T. Chui, and Y. Kawazoe, "Effect of Elastic interaction on self-assembled
island spatial arrangement," Mater. Trans. 42 (11) 2279-2282, Spec. Issue (Nov. 2001). JA 34. Y. Kawazoe, K. Ohno, K. Esfarjani, Y. Maruyama Y, K. Shiga, A. A. Farajian, "Why the all-electron
full-potential approach is suitable for calculations on fullerenes and nanotubes," J. MOL. GRAPH. MODEL. 19 (2) 270-273 (2001).
JA 35. A. A. Farajian, K. Esfarjani and M. Mikami, "Screening at doped nanotube junctions beyond linear
response," Phys. Rev. B 65 , 165415 (2002). JA 36. K. Esfarjani, S. T. Chui, V. Kumar, and Y. Kawazoe, "Statics and Dynamics of Phase Segregation in
Multicomponent Fermion Gas," Eur. Phys. J. D 21, 181 (2002). JA 37. A.A. Farajian, K. Esfarjani, H. Mizuseki, and Y. Kawazoe, "Electron-interaction effects on transport
characteristics of nanotubes," Physica B, 323, 242 (2002). JA 38. K. Esfarjani, Z. Chen and Y. Kawazoe, "Electronic properties of magnetically doped nanotubes,"
Bull. Mater. Sci., 26, 1, (2003). JA 39. M. Heydari Saani, M. A. Vesaghi, and K. Esfarjani, "Oscillator strength calculations in color centers
of diamond and the role of spin," Eur. Phys. J. B 39 , 441 (2004). JA 40. M. Heydari Saani, M. A. Vesaghi, K. Esfarjani and A. Shafiekhani, "Details of a theoretical model for
electronic structure of diamond vacancies," Diamond and Related Materials (DIAMAT) 13 , 2125 (2004).
JA 41. M. Mardaani, K. Esfarjani, "Some analytical results in phase coherent transport in quantum wires,"
Physica E 25, 119 (2004). JA 42. K. Esfarjani, Amir A. Farajian, Siu Tat Chui and Yoshiyuki Kawazoe, "Nonlinear charging, and
transport times in doped nanotube junctions," J. Phys. Soc. Jap. 74, 515 (2005). JA 43. M. Heydari Saani, M. A. Vesaghi, K. Esfarjani, T. Ghods Elahi, M. Saiari, H. Hashemi and N.
Gorjizadeh, "Lattice relaxation in many-electron states of the diamond vacancy," Phys. Rev. B 71, 035202 (2005).
JA 44. M. Mardaani, K. Esfarjani, "Coherent conductance in an alternating dot: Exact results," Physica E,
27, 227 (2005). JA 45. A. A. Shokri and K. Esfarjani, "Properties of charge and magnetic impurities in a spin-polarized
electron gas: A semiclassical approach," Physica E, 28, 313 (2005).
CV of Keivan Esfarjani Page 11
JA 46. A. A. Shokri, M. Mardaani and K. Esfarjani, "Spin filtering and spin diode devices in quantum wire
systems," Physica E, 27, 325, (2005). JA 47. M. Mardaani, A. A. Shokri and K. Esfarjani, "Analytical results on coherent conductance in a general
periodic dot: Transfer matrix method," Physica E, 28 , 150 (2005). JA 48. M. Mardaani, K. Esfarjani, "Analytical results on ballistic transport in a periodic molecular wire,"
Chem. Phys. 317, 43 (2005). JA 49. H. Cheraghchi, S. M. Fazeli, and K. Esfarjani, "Localization-delocalization transition in a one-
dimensional system with long-range correlated off-diagonal disorder,” Phys. Rev. B, 72, 174207 (2005).
JA 50. K. Esfarjani, N. Gorjizadeh and Z. Nasrollahi , "Molecular Dynamics of single wall carbon nanotube
growth on nickel surface," Computational Materials Science , 36 , 117 (2006). JA 51. M. Heidari Saani, M. A. Vesaghi, K. Esfarjani, and A. Shafiekhani, “Generalized Hubbard model for
many-electron states of the diamond vacancies: A non-CI approach,” Phys. Stat. Sol. (b), 243 1269 (2006).
JA 52. K. Esfarjani, M. Zebarjadi, and Y. Kawazoe, "Thermoelectric properties of a nanocontact,” Phys.
Rev. B, 73, 085406 (2006). JA 53. M. Heidari Saani, K. Esfarjani, H. Hashemi, M.A. Vesaghi and A.R. Basiri, "Relationship between
lattice relaxation and electron delocalization in diamond vacancies,” Physica B: Condensed Matter, Volumes 376-377, 324 (2006).
JA 54. M. Zebarjadi, A. Shakouri, K. Esfarjani, "Thermoelectric transport perpendicular to thin film
heterostructures using Monte Carlo technique," Phys. Rev. B , 74, 195331 (2006). JA 55. M. Zebarjadi, C. Bulutay, K. Esfarjani and A. Shakouri, "An improved Monte Carlo algorithm for
treating non uniform and degenerate semiconductors," Appl. Phys. Lett. 90, 092111 (2007). JA 56. M. R. Mozaffari and K. Esfarjani, "Spin dynamics characterization in magnetic dots," Physica B
399, 81 (2007). JA 57. B. Tanatar, A. L. Subasi, K. Esfarjani, and S. M. Fazeli, "Ground-state energy and compressibility of a
disordered two-dimensional electron gas," Int. J. Mod. Phys. B 21 2134 (2007). JA 58. M. Zebarjadi, K. Esfarjani and A. Shakouri, "Nonlinear Peltier and Seebeck coefficients in doped
semiconductors," Appl. Phys. Lett. 91, 122104 (2007). JA 59. K. Esfarjani and H. T. Stokes, "Method to extract anharmonic force constants from first principles
calculations," Phys. Rev. B 77, 144112 (2008). JA 60. H. Cheraghchi and K. Esfarjani, "Negative differential resistance in molecular junctions: Application
to graphene ribbon junctions," Phys. Rev. B 78, 085123 (2008).
CV of Keivan Esfarjani Page 12
JA 61. N. Gorjizadeh, A. A. Farajian, K. Esfarjani, and Y. Kawazoe, "Spin and band-gap engineering in
doped graphene nanoribbons," Phys. Rev. B 78, 155427 (2008). JA 62. M. Heidari Saani, T. Ghods-elahi, and K. Esfarjani, "Surface stress and strain-induced instability of
spherical nanodiamond hydrocarbons: Effect of surface CHn and charging," Phys. Rev. B 79, 125429 (2009).
JA 63. M. Zebarjadi, K. Esfarjani, A. Shakouri, J.H. Bahk, Z. Bian, G. Zeng and J. Bowers, H. Lu, J. Zide and A.
Gossard, "Effect of nanoparticle scattering on thermoelectric power factor," Appl. Phys. Lett. 94, 202105 (2009).
JA 64. M. Zebarjadi, K. Esfarjani, A. Shakouri, J.H. Bahk, Z. Bian, G. Zeng and J. Bowers, H. Lu, J. Zide and A.
Gossard, Erratum: “Effect of nanoparticle scattering on thermoelectric power factor," Appl. Phys. Lett. 95, 019901 (2009).
JA 65. M. Zebarjadi, K. Esfarjani, A. Shakouri, et al., "Effect of Nanoparticles on Electron and
Thermoelectric Transport," Jour. Elec. Mat. 38 954 (2009). JA 66. N. Mingo, K. Esfarjani, D. A. Broido and D. A. Stewart, "Cluster scattering effects on phonon
conduction in graphene," Phys. Rev. B 81, 045408 (2010). JA 67. M. Zebarjadi, K. Esfarjani, Jian Yang, Z. Ren, and G. Chen, "Effect of filler mass and binding on
thermal conductivity of fully filled skutterudites," Phys. Rev. B 82 , 195207 (2010). JA 68. M. Zebarjadi, K. Esfarjani, Z. Bian and A. Shakouri, "Low-temperature thermoelectric power factor
enhancement by controlling nanoparticle size distribution," Nano Letters 11, 225 (2011). JA 69. T. F. Luo, K. Esfarjani, J. Shiomi J, A. Henry, and G. Chen, "Molecular dynamics simulation of
thermal energy transport in polydimethylsiloxane (PDMS),” J. Appl. Phys. 109, 074321 (2011). JA 70. K. Esfarjani, G. Chen and H. T. Stokes, "Heat transport in silicon from first-principles calculations,"
Phys. Rev. B 84, 085204 (2011). JA 71. A. J. Minnich, J. A. Johnson, A. J. Schmidt, K. Esfarjani, M. S. Dresselhaus, K. A. Nelson and G Chen,
"Thermal Conductivity Spectroscopy Technique to Measure Phonon Mean Free Paths," Phys. Rev. Lett. 107, 095901 (2011).
JA 72. Z. Tian, K. Esfarjani, J. Shiomi, A. S. Henry, and G. Chen, "On the importance of optical phonons to
thermal conductivity in nanostructures," Appl. Phys. Lett. 99, 053122 (2011).
JA 73. M. Khazaei, Y. Liang, M. S. Bahramy, F. Pichierri, K. Esfarjani and Y. Kawazoe, “High-pressure phases of hydrogen cyanide: formation of hydrogenated carbon nitride polymers and layers and their electronic properties,” J. Phys. Cond. Matt. 23, 405403 (2011).
JA 74. J. Shiomi, K. Esfarjani, and G. Chen, "First-principles-based modeling of thermal conductivity of
Heusler alloys," Phys. Rev. B 84, 104302 (2011).
CV of Keivan Esfarjani Page 13
JA 75. A. Ranjbar, M. Babamoradi, M. Heidari Saani, M. A. Vesaghi, K. Esfarjani, and Y. Kawazoe, “Many-electron states of nitrogen-vacancy centers in diamond and spin density calculations,” Phys. Rev. B 84, 165212 (2011).
JA 76. Q. Zhang, H. Wang, W. Liu, H. Wang, B. Yu, Q. Zhang, Z. Tian, G. Ni, S. Lee, K. Esfarjani, G. Chen, and Z. Ren, “Enhancement of Thermoelectric Figure-of-Merit by Resonant States of Aluminum Doping in Lead Selenide,” Energy and Envir. Sci, DOI:10.1039/c1ee02497c (2011).
Other papers in preparation or in arXiv:
K. Vafayi and K. Esfarjani, "Abundance of Nanoclusters in a Molecular Beam: The Magic Numbers," cond-mat/0506092 (2005). K. Esfarjani, S. M. Fazeli, L. Subasi and B. Tanatar, "Magnetism near the metal-insulator transition in 2D electron systems: the role of interaction and disorder," cond-mat/0602434 (2006). S. M. Fazeli and K. Esfarjani, "Divergence of effective mass in Uncorrelated-State Percolation Model,” cond-mat/0709.2005 (2007). Y. Chalopin, K. Esfarjani, A. Henry, S. Volz, and G. Chen, “Thermal conductance in Si/Ge superlattices interfaces retrieved from equilibrium molecular dynamics,” N. Yang, K. Esfarjani, A. Henry, and G. Chen, “Interfacial thermal conductance in Al/Si,” K. Esfarjani, M. Luckyanova, T.F. Luo, Z. Tian, J. Garg and G. Chen, “Thermal conductivity of AlAs and GaAs and their superlattices” T. Shiga, J. Shiomi, K. Esfarjani, O. Delaire and G. Chen, “Large anharmonicity in the transverse optical modes of PbTe,” J. Garg, Z. Tian, J. Shiomi, K. Esfarjani and G.Chen, “Why PbSe has lower thermal conductivity than PbTe?”